1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol

C27H25ClF2N2O2 — CID 56617415

IUPAC1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC2=CC(c3ccc(F)cc3)(c3ccc(F)cc3)ON2)CC1
InChIInChI=1S/C27H25ClF2N2O2/c28-22-7-1-19(2-8-22)26(33)13-15-32(16-14-26)18-25-17-27(34-31-25,20-3-9-23(29)10-4-20)21-5-11-24(30)12-6-21/h1-12,17,31,33H,13-16,18H2
InChIKeyLXMJENHESASYDE-UHFFFAOYSA-N
MW482.96 g/mol
LogP5.26
Rot. Bonds5

About 1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol

1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 56617415) has the molecular formula C27H25ClF2N2O2 and a molecular weight of 482.96 g/mol. Its IUPAC name is 1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID56617415
Molecular FormulaC27H25ClF2N2O2
Molecular Weight482.96 g/mol
Exact Mass482.16
IUPAC Name1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CC2=CC(c3ccc(F)cc3)(c3ccc(F)cc3)ON2)CC1
InChIInChI=1S/C27H25ClF2N2O2/c28-22-7-1-19(2-8-22)26(33)13-15-32(16-14-26)18-25-17-27(34-31-25,20-3-9-23(29)10-4-20)21-5-11-24(30)12-6-21/h1-12,17,31,33H,13-16,18H2
InChIKeyLXMJENHESASYDE-UHFFFAOYSA-N
XLogP5.26
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.96
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-ol
CID 46231273
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-(3,3-diphenylpropyl)-1-oxidopiperidin-1-ium-4-ol
CID 44395366
1-(4,4-Bis(4-fluorophenyl)butyl)-4-(4-chlorophenyl)piperidin-4-ol
CID 49776292
1-[[5,5-bis(4-fluorophenyl)-4H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 13178202
1-[3-[Bis(4-fluorophenyl)methylamino]propyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 20360363
4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-hydroxy-4-phenylbutyl]piperidin-4-ol
CID 23365004
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 56610074
4-(4-Chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 56616338
1-[4-Amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 57093618
1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 91080179
1-[5-Amino-4-(4-fluorophenyl)-4-phenylpentyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 139792713
1-(4-Chlorophenyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-phenylbutan-2-ol
CID 174309850

Frequently Asked Questions

What is the IUPAC name of 1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol (CID 56617415) is 1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CC2=CC(c3ccc(F)cc3)(c3ccc(F)cc3)ON2)CC1.
What is the InChIKey of 1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is LXMJENHESASYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF2N2O2/c28-22-7-1-19(2-8-22)26(33)13-15-32(16-14-26)18-25-17-27(34-31-25,20-3-9-23(29)10-4-20)21-5-11-24(30)12-6-21/h1-12,17,31,33H,13-16,18H2.
What are the key properties of 1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol?
1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 482.96 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 56617415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).